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(5R*,5aR*)-5-Ethoxycarbonylamino-6-bromoacetyl-5,5a,6,11-tetrahydro-4H-benz[f]indeno[1,7-bc]azepine
SpectraBase Compound ID m6Fh5dX9ge
InChI InChI=1S/C21H21BrN2O3/c1-2-27-21(26)23-16-11-15-8-5-7-14-10-13-6-3-4-9-17(13)24(18(25)12-22)20(16)19(14)15/h3-9,16,20H,2,10-12H2,1H3,(H,23,26)/t16-,20+/m1/s1
InChIKey HYQVOMDRKLDHCU-UZLBHIALSA-N
Mol Weight 429.31 g/mol
Molecular Formula C21H21BrN2O3
Exact Mass 428.073556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hx1kme6a9n
Name (5R*,5aR*)-5-Ethoxycarbonylamino-6-bromoacetyl-5,5a,6,11-tetrahydro-4H-benz[f]indeno[1,7-bc]azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21BrN2O3
InChI InChI=1S/C21H21BrN2O3/c1-2-27-21(26)23-16-11-15-8-5-7-14-10-13-6-3-4-9-17(13)24(18(25)12-22)20(16)19(14)15/h3-9,16,20H,2,10-12H2,1H3,(H,23,26)/t16-,20+/m1/s1
InChIKey HYQVOMDRKLDHCU-UZLBHIALSA-N
Molecular Weight 429.314 g/mol
SMILES N([C@]1([C@@]2(N(c3c(Cc4c2c(ccc4)C1)cccc3)C(=O)CBr)[H])[H])C(=O)OCC
SPLASH splash10-03xr-0092000000-36d9a21675b68ea18568
Source of Spectrum KC-0-2778-6
Synonyms Ethyl (5R,5aR)-6-(bromoacetyl)-5,5a,6,11-tetrahydro-4H-indeno[1,7-bc][1]benzazepin-5-ylcarbamate
Wiley ID 823458